UCSF

ZINC37023761

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.95 8.25 -40.08 1 2 1 28 205.256 3
Hi High (pH 8-9.5) 1.95 5.8 -5.59 0 2 0 27 204.248 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )